1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide

C167H155Cl2N13O26S — CID 159142140

IUPAC1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccccc1Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.COc1ccccc1Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nn1.COc1ccccc1Nc1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1.O=C(Cc1ccc(-c2ccccc2Cl)nc1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(CC2CCCCC2)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cnc(Cc2ccccc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C26H26N2O5S.C25H23NO4.C24H22N2O4.C23H19ClN2O3.C23H18ClNO3.C23H21N3O4.C23H26N2O3/c1-17-22(19-5-4-6-21(13-19)34(30,31)28(2)3)11-18(15-27-17)12-25(29)26(9-10-26)20-7-8-23-24(14-20)33-16-32-23;1-28-21-5-3-2-4-18(21)13-20-8-6-17(15-26-20)12-24(27)25(10-11-25)19-7-9-22-23(14-19)30-16-29-22;1-28-20-5-3-2-4-16(20)12-18-7-8-19(26-25-18)14-23(27)24(10-11-24)17-6-9-21-22(13-17)30-15-29-21;24-19-4-2-1-3-15(19)9-17-12-26-18(13-25-17)11-22(27)23(7-8-23)16-5-6-20-21(10-16)29-14-28-20;24-18-4-2-1-3-17(18)19-7-5-15(13-25-19)11-22(26)23(9-10-23)16-6-8-20-21(12-16)28-14-27-20;1-28-18-5-3-2-4-17(18)26-22-13-24-16(12-25-22)11-21(27)23(8-9-23)15-6-7-19-20(10-15)30-14-29-19;26-22(23(10-11-23)17-6-9-20-21(13-17)28-15-27-20)14-19-8-7-18(24-25-19)12-16-4-2-1-3-5-16/h4-8,11,13-15H,9-10,12,16H2,1-3H3;2-9,14-15H,10-13,16H2,1H3;2-9,13H,10-12,14-15H2,1H3;1-6,10,12-13H,7-9,11,14H2;1-8,12-13H,9-11,14H2;2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,26);6-9,13,16H,1-5,10-12,14-15H2
InChIKeyKIFJXJPRHBQBIR-UHFFFAOYSA-N
MW2863.11 g/mol
LogP29.02
Rot. Bonds45

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 159142140) has the molecular formula C167H155Cl2N13O26S and a molecular weight of 2863.11 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
PubChem CID159142140
Molecular FormulaC167H155Cl2N13O26S
Molecular Weight2863.11 g/mol
Exact Mass2860.03
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccccc1Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.COc1ccccc1Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nn1.COc1ccccc1Nc1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1.O=C(Cc1ccc(-c2ccccc2Cl)nc1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(CC2CCCCC2)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cnc(Cc2ccccc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C26H26N2O5S.C25H23NO4.C24H22N2O4.C23H19ClN2O3.C23H18ClNO3.C23H21N3O4.C23H26N2O3/c1-17-22(19-5-4-6-21(13-19)34(30,31)28(2)3)11-18(15-27-17)12-25(29)26(9-10-26)20-7-8-23-24(14-20)33-16-32-23;1-28-21-5-3-2-4-18(21)13-20-8-6-17(15-26-20)12-24(27)25(10-11-25)19-7-9-22-23(14-19)30-16-29-22;1-28-20-5-3-2-4-16(20)12-18-7-8-19(26-25-18)14-23(27)24(10-11-24)17-6-9-21-22(13-17)30-15-29-21;24-19-4-2-1-3-15(19)9-17-12-26-18(13-25-17)11-22(27)23(7-8-23)16-5-6-20-21(10-16)29-14-28-20;24-18-4-2-1-3-17(18)19-7-5-15(13-25-19)11-22(26)23(9-10-23)16-6-8-20-21(12-16)28-14-27-20;1-28-18-5-3-2-4-17(18)26-22-13-24-16(12-25-22)11-21(27)23(8-9-23)15-6-7-19-20(10-15)30-14-29-19;26-22(23(10-11-23)17-6-9-20-21(13-17)28-15-27-20)14-19-8-7-18(24-25-19)12-16-4-2-1-3-5-16/h4-8,11,13-15H,9-10,12,16H2,1-3H3;2-9,14-15H,10-13,16H2,1H3;2-9,13H,10-12,14-15H2,1H3;1-6,10,12-13H,7-9,11,14H2;1-8,12-13H,9-11,14H2;2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,26);6-9,13,16H,1-5,10-12,14-15H2
InChIKeyKIFJXJPRHBQBIR-UHFFFAOYSA-N
XLogP29.02
TPSA467.60 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds45
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002863.11
LogP ≤ 529.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide (CID 159142140) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide is COc1ccccc1Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.COc1ccccc1Cc1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nn1.COc1ccccc1Nc1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.Cc1ncc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1.O=C(Cc1ccc(-c2ccccc2Cl)nc1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(CC2CCCCC2)nn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cnc(Cc2ccccc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is KIFJXJPRHBQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5S.C25H23NO4.C24H22N2O4.C23H19ClN2O3.C23H18ClNO3.C23H21N3O4.C23H26N2O3/c1-17-22(19-5-4-6-21(13-19)34(30,31)28(2)3)11-18(15-27-17)12-25(29)26(9-10-26)20-7-8-23-24(14-20)33-16-32-23;1-28-21-5-3-2-4-18(21)13-20-8-6-17(15-26-20)12-24(27)25(10-11-25)19-7-9-22-23(14-19)30-16-29-22;1-28-20-5-3-2-4-16(20)12-18-7-8-19(26-25-18)14-23(27)24(10-11-24)17-6-9-21-22(13-17)30-15-29-21;24-19-4-2-1-3-15(19)9-17-12-26-18(13-25-17)11-22(27)23(7-8-23)16-5-6-20-21(10-16)29-14-28-20;24-18-4-2-1-3-17(18)19-7-5-15(13-25-19)11-22(26)23(9-10-23)16-6-8-20-21(12-16)28-14-27-20;1-28-18-5-3-2-4-17(18)26-22-13-24-16(12-25-22)11-21(27)23(8-9-23)15-6-7-19-20(10-15)30-14-29-19;26-22(23(10-11-23)17-6-9-20-21(13-17)28-15-27-20)14-19-8-7-18(24-25-19)12-16-4-2-1-3-5-16/h4-8,11,13-15H,9-10,12,16H2,1-3H3;2-9,14-15H,10-13,16H2,1H3;2-9,13H,10-12,14-15H2,1H3;1-6,10,12-13H,7-9,11,14H2;1-8,12-13H,9-11,14H2;2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,26);6-9,13,16H,1-5,10-12,14-15H2.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 2863.11 g/mol, XLogP of 29.02, 45 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-chlorophenyl)-3-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(cyclohexylmethyl)pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyanilino)pyrazin-2-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]pyridazin-3-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[(2-methoxyphenyl)methyl]-3-pyridinyl]ethanone;3-[5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 159142140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).